(4R)-4-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4,5-dihydro-1,3-thiazole

C8H11N3S — CID 146331729

IUPAC(4R)-4-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4,5-dihydro-1,3-thiazole
SMILESCc1cn[nH]c1C1=N[C@H](C)CS1
InChIInChI=1S/C8H11N3S/c1-5-3-9-11-7(5)8-10-6(2)4-12-8/h3,6H,4H2,1-2H3,(H,9,11)/t6-/m1/s1
InChIKeyLKULPKDAMGWIBP-ZCFIWIBFSA-N
MW181.26 g/mol
LogP1.60
Rot. Bonds1

About (4R)-4-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4,5-dihydro-1,3-thiazole

(4R)-4-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 146331729) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is (4R)-4-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-4-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4,5-dihydro-1,3-thiazole
PubChem CID146331729
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name(4R)-4-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4,5-dihydro-1,3-thiazole
SMILESCc1cn[nH]c1C1=N[C@H](C)CS1
InChIInChI=1S/C8H11N3S/c1-5-3-9-11-7(5)8-10-6(2)4-12-8/h3,6H,4H2,1-2H3,(H,9,11)/t6-/m1/s1
InChIKeyLKULPKDAMGWIBP-ZCFIWIBFSA-N
XLogP1.60
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-4-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4,5-dihydro-1,3-thiazole (CID 146331729) is (4R)-4-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-4-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-4-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4,5-dihydro-1,3-thiazole is Cc1cn[nH]c1C1=N[C@H](C)CS1.
What is the InChIKey of (4R)-4-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is LKULPKDAMGWIBP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11N3S/c1-5-3-9-11-7(5)8-10-6(2)4-12-8/h3,6H,4H2,1-2H3,(H,9,11)/t6-/m1/s1.
What are the key properties of (4R)-4-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4,5-dihydro-1,3-thiazole?
(4R)-4-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 181.26 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-2-(4-methyl-1H-pyrazol-5-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 146331729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).